trimethyl(phenyl)azanium fluoride

C9H14FN — CID 15787908

IUPACtrimethyl(phenyl)azanium fluoride
SMILESC[N+](C)(C)c1ccccc1.[F-]
InChIInChI=1S/C9H14N.FH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKeyIOIJXJFMFHVESQ-UHFFFAOYSA-M
MW155.22 g/mol
LogP-1.11
Rot. Bonds1

About trimethyl(phenyl)azanium fluoride

trimethyl(phenyl)azanium fluoride (PubChem CID 15787908) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is trimethyl(phenyl)azanium fluoride.

Molecular Properties

Compound Nametrimethyl(phenyl)azanium fluoride
PubChem CID15787908
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Nametrimethyl(phenyl)azanium fluoride
SMILESC[N+](C)(C)c1ccccc1.[F-]
InChIInChI=1S/C9H14N.FH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKeyIOIJXJFMFHVESQ-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(phenyl)azanium fluoride?
The IUPAC name of trimethyl(phenyl)azanium fluoride (CID 15787908) is trimethyl(phenyl)azanium fluoride.
What is the SMILES notation for trimethyl(phenyl)azanium fluoride?
The canonical SMILES for trimethyl(phenyl)azanium fluoride is C[N+](C)(C)c1ccccc1.[F-].
What is the InChIKey of trimethyl(phenyl)azanium fluoride?
The InChIKey is IOIJXJFMFHVESQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N.FH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(phenyl)azanium fluoride?
trimethyl(phenyl)azanium fluoride has a molecular weight of 155.22 g/mol, XLogP of -1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(phenyl)azanium fluoride is sourced from PubChem (CID 15787908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).